5-pyrrolidin-2-yl-3,4-dihydropyridine

C9H14N2 — CID 167116216

IUPAC5-pyrrolidin-2-yl-3,4-dihydropyridine
SMILESC1=NC=C(C2CCCN2)CC1
InChIInChI=1S/C9H14N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h5,7,9,11H,1-4,6H2
InChIKeyQKNNRWIXTNJMGK-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.49
Rot. Bonds1

About 5-pyrrolidin-2-yl-3,4-dihydropyridine

5-pyrrolidin-2-yl-3,4-dihydropyridine (PubChem CID 167116216) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-3,4-dihydropyridine
PubChem CID167116216
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name5-pyrrolidin-2-yl-3,4-dihydropyridine
SMILESC1=NC=C(C2CCCN2)CC1
InChIInChI=1S/C9H14N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h5,7,9,11H,1-4,6H2
InChIKeyQKNNRWIXTNJMGK-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-3,4-dihydropyridine?
The IUPAC name of 5-pyrrolidin-2-yl-3,4-dihydropyridine (CID 167116216) is 5-pyrrolidin-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 5-pyrrolidin-2-yl-3,4-dihydropyridine?
The canonical SMILES for 5-pyrrolidin-2-yl-3,4-dihydropyridine is C1=NC=C(C2CCCN2)CC1.
What is the InChIKey of 5-pyrrolidin-2-yl-3,4-dihydropyridine?
The InChIKey is QKNNRWIXTNJMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h5,7,9,11H,1-4,6H2.
What are the key properties of 5-pyrrolidin-2-yl-3,4-dihydropyridine?
5-pyrrolidin-2-yl-3,4-dihydropyridine has a molecular weight of 150.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 167116216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).